(3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide

C23H28N4O3S — CID 125159338

IUPAC(3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide
SMILESCc1csc(CN2C(=O)c3cccc(N4CCC[C@@H](C(=O)NCC(C)C)C4)c3C2=O)n1
InChIInChI=1S/C23H28N4O3S/c1-14(2)10-24-21(28)16-6-5-9-26(11-16)18-8-4-7-17-20(18)23(30)27(22(17)29)12-19-25-15(3)13-31-19/h4,7-8,13-14,16H,5-6,9-12H2,1-3H3,(H,24,28)/t16-/m1/s1
InChIKeyVGTKAYWDZZBRNL-MRXNPFEDSA-N
MW440.57 g/mol
LogP3.24
Rot. Bonds6

About (3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide

(3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide (PubChem CID 125159338) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is (3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide
PubChem CID125159338
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name(3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide
SMILESCc1csc(CN2C(=O)c3cccc(N4CCC[C@@H](C(=O)NCC(C)C)C4)c3C2=O)n1
InChIInChI=1S/C23H28N4O3S/c1-14(2)10-24-21(28)16-6-5-9-26(11-16)18-8-4-7-17-20(18)23(30)27(22(17)29)12-19-25-15(3)13-31-19/h4,7-8,13-14,16H,5-6,9-12H2,1-3H3,(H,24,28)/t16-/m1/s1
InChIKeyVGTKAYWDZZBRNL-MRXNPFEDSA-N
XLogP3.24
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindol-4-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 42472503
4-[3-(2-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione
CID 45198682
1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 45200225
1-[1,3-dioxo-2-(1,3-thiazol-2-ylmethyl)isoindol-4-yl]-N-methyl-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 45199213
4-[(3S)-3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione
CID 98333302
4-[(3S)-3-[(3R)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-2-(1,3-thiazol-2-ylmethyl)isoindole-1,3-dione
CID 26353798
4-[3-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1,3-thiazol-2-ylmethyl)isoindole-1,3-dione
CID 45213895
1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 56859366
N-cyclohexyl-1-[1,3-dioxo-2-(1,3-thiazol-2-ylmethyl)isoindol-4-yl]-N-methylpiperidine-3-carboxamide
CID 45169369
(3S)-1-[1,3-dioxo-2-(pyridin-4-ylmethyl)isoindol-4-yl]-N-[(1R)-1-naphthalen-1-ylethyl]piperidine-3-carboxamide
CID 42448923
(3S)-1-[1,3-dioxo-2-(pyridin-4-ylmethyl)isoindol-4-yl]-N-[(1S)-1-naphthalen-1-ylethyl]piperidine-3-carboxamide
CID 42448924
(3S)-1-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-dioxoisoindol-4-yl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 98212230

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide (CID 125159338) is (3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide is Cc1csc(CN2C(=O)c3cccc(N4CCC[C@@H](C(=O)NCC(C)C)C4)c3C2=O)n1.
What is the InChIKey of (3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide?
The InChIKey is VGTKAYWDZZBRNL-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-14(2)10-24-21(28)16-6-5-9-26(11-16)18-8-4-7-17-20(18)23(30)27(22(17)29)12-19-25-15(3)13-31-19/h4,7-8,13-14,16H,5-6,9-12H2,1-3H3,(H,24,28)/t16-/m1/s1.
What are the key properties of (3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide?
(3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methylpropyl)-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 125159338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).